ChemSpider 2D Image | 2-(4-Chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methyl-2-pentanyl]-4-methyl-1,3-thiazole-5-carboxamide | C17H21ClN2O2S

2-(4-Chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methyl-2-pentanyl]-4-methyl-1,3-thiazole-5-carboxamide

  • Molecular FormulaC17H21ClN2O2S
  • Average mass352.879 Da
  • Monoisotopic mass352.101227 Da
  • ChemSpider ID21830460

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(4-Chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methyl-2-pentanyl]-4-methyl-1,3-thiazole-5-carboxamide [ACD/IUPAC Name]
2-(4-Chlorophényl)-N-[(2S,3S)-1-hydroxy-3-méthyl-2-pentanyl]-4-méthyl-1,3-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-N-[(2S,3S)-1-hydroxy-3-methyl-2-pentanyl]-4-methyl-1,3-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
5-Thiazolecarboxamide, 2-(4-chlorophenyl)-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]-4-methyl- [ACD/Index Name]
1013816-88-0 [RN]
2-(4-Chloro-phenyl)-4-methyl-thiazole-5-carboxylic acid (1-hydroxymethyl-2-methyl-butyl)-amide
2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.579
    Molar Refractivity: 95.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.37
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 247.57
    ACD/KOC (pH 5.5): 1798.88
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 245.70
    ACD/KOC (pH 7.4): 1785.30
    Polar Surface Area: 90 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 286.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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